105859

Source:http://linkedlifedata.com/resource/chembl/compound/105859

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H16N2O4/c1-16-5-7-17(8-6-16)15(20)13-9-11(19)14-10(18)3-2-4-12(14)21-13/h2-4,9,18H,5-8H2,1H3
chemicalCompound:standardIn...	IQWFMMMDLDKSJG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)C(=O)C2=CC(=O)c3c(O)cccc3O2
chemicalCompound:molecularF...	C15 H16 N2 O4
chemicalCompound:moleculeId	105859
chemicalCompound:mwFreebase	288.299
chemicalCompound:alogp	0.747
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	70.08
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.702
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.125
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.299
chemicalCompound:acdMostBpk...	6.86
chemicalCompound:chemblId	CHEMBL66613
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:205859
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:952562, activity:952563, activity:952564, activity:952565